Geometry & MOs

Info

ID:	301395
PubChem CID:	123080681
Reduced:	ClSO2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	520.06992
ΔH_f, kcal/mol:	32.43
Dipole, Da:	6.9
IP(EA), eV:	-8.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromo-4-propan-2-yloxyphenyl)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1N/C=C/2\C=CC=C(C2=O)OCC)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations